CID 467137

Cbz-phe-gser-phe-cbz

Structural Information

Molecular Formula
C36H38N4O7
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)NC(CO)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C36H38N4O7/c41-23-32(39-33(42)30(21-26-13-5-1-6-14-26)37-35(44)46-24-28-17-9-3-10-18-28)40-34(43)31(22-27-15-7-2-8-16-27)38-36(45)47-25-29-19-11-4-12-20-29/h1-20,30-32,41H,21-25H2,(H,37,44)(H,38,45)(H,39,42)(H,40,43)/t30-,31-/m0/s1
InChIKey
RKWYICWVEPKIII-CONSDPRKSA-N
Compound name
benzyl N-[(2S)-1-[[2-hydroxy-1-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

638.27405 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 639.28133 245.8
[M+Na]+ 661.26327 238.3
[M-H]- 637.26677 253.4
[M+NH4]+ 656.30787 241.5
[M+K]+ 677.23721 237.7
[M+H-H2O]+ 621.27131 232.2
[M+HCOO]- 683.27225 262.3
[M+CH3COO]- 697.28790 270.7
[M+Na-2H]- 659.24872 243.8
[M]+ 638.27350 244.3
[M]- 638.27460 244.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.